Hi, The script I've used for the CHARMM port might be of use to you, e-mail me offlist if interested. It's not the greatest piece of code (in pyhon) and it is written to parse version c32b1. My experience is that the force field structure alters quite a bit between CHARMM releases. So writing a script for general porting of CHARMM ff to GMX is probably quite a task.
Regards, Pär Bjelkmar > Message: 3 > Date: Mon, 23 Aug 2010 14:51:30 -0400 > From: fang yuan <fangyuan3...@gmail.com> > Subject: Re: [gmx-users] Does anyone know how to get the file > charmm_gromacs.tar.gz? > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: > <aanlktik=utv9kmepjapghrwoavy6qqrwcotdawuas...@mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > Hi, I have the same problem, I need to implement the general CHARMM > forcefield in gromacs, so I need to know how to convert the rtf files into > rtp files in gromacs > <><><><><><><><><><><><><><><><><><><><><> Pär Bjelkmar, Ph.D. student Stockholm Center for Biomembrane Research (CBR), Stockholm Bioinformatics Center (SBC), Department of Biochemistry and Biophysics (DBB), Stockholm University Tel: +46-8-16 2746 Fax: +46-8-15 3679 E-mail: bjelk...@cbr.su.se Home: http://www.dbb.su.se/User:Bjelkmar <><><><><><><><><><><><><><><><><><><><><>
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